2-[(8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-9-ium-13-yl)amino]ethylazanium
Formula:C19H26N6OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-9-ium-13-yl)amino]ethylazanium is a drug-like molecule.
| MolName | 2-[(8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-9-ium-13-yl)amino]ethylazanium |
| MolecularFormula | C19H26N6OS |
| Smiles | [NH3+]CCNc1c2sc3[nH+]c(N4CCOCC4)c(CCCC4)c4c3c2ncn1 |
| InChI | InChI=1S/C19H24N6OS/c20-5-6-21-17-16-15(22-11-23-17)14-12-3-1-2-4-13(12)18(24-19(14)27-16)25-7-9-26-10-8-25/h11H,1-10,20H2,(H,21,22,23)/p+2 |
| InChIK | BSKGOPKZHJYQLM-UHFFFAOYSA-P |
| TotalMolweight | 386.522 |
| Molweight | 386.522 |
| MonoisotopicMass | 386.188879 |
| CLogP | -3.5832 |
| CLogS | -5.191 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 273.8 |
| Relative PSA | 0.29872 |
| PolarSurfaceArea | 120.3 |
| Druglikeness | -5.1266 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 13 |
| Sp3Atoms | 13 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-9-ium-13-yl)amino]ethylazanium | 2 - 2-[(8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-9-ium-13-yl)amino]ethylazanium
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